[2-[(Z)-heptadec-8-enoxy]-4-[2-hydroxyethyl(dimethyl)azaniumyl]-3-[(Z)-octadec-8-enoxy]butyl]-(2-hydroxyethyl)-dimethyl-azanium diiodide

Systemtic Name: [2-[(Z)-heptadec-8-enoxy]-4-[2-hydroxyethyl(dimethyl)azaniumyl]-3-[(Z)-octadec-8-enoxy]butyl]-(2-hydroxyethyl)-dimethyl-azanium diiodide Openeye Name: [2-[(Z)-heptadec-8-enoxy]-4-[2-hydroxyethyl(dimethyl)ammonio]-3-[(Z)-octadec-8-enoxy]butyl]-(2-hydroxyethyl)-dimethyl-ammonium diiodide CAS Name: [2-[(Z)-heptadec-8-enoxy]-4-[2-hydroxyethyl(dimethyl)ammonio]-3-[(Z)-octadec-8-enoxy]butyl]-(2-hydroxyethyl)-dimethylammonium diiodide IUPAC Name: [2-[(Z)-heptadec-8-enoxy]-4-[2-hydroxyethyl(dimethyl)azaniumyl]-3-[(Z)-octadec-8-enoxy]butyl]-(2-hydroxyethyl)-dimethylazanium diiodide Traditional Name: [2-[(Z)-heptadec-8-enoxy]-4-[2-hydroxyethyl(dimethyl)ammonio]-3-[(Z)-octadec-8-enoxy]butyl]-(2-hydroxyethyl)-dimethyl-ammonium diiodide Formula: C47H96I2N2O4 MolecularWeight: 1007.08508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC=CCCCCCCCOC(C[N+](C)(C)CCO)C(C[N+](C)(C)CCO)OCCCCCCCC=CCCCCCCCC.[I-].[I-]

Isomeric SMILES

CCCCCCCCC/C=C\CCCCCCCOC(C[N+](C)(C)CCO)C(C[N+](C)(C)CCO)OCCCCCCC/C=C\CCCCCCCC.[I-].[I-]

InChI

InChI=1S/C47H96N2O4.2HI/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-43-53-47(45-49(5,6)39-41-51)46(44-48(3,4)38-40-50)52-42-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2;;/h22-25,46-47,50-51H,7-21,26-45H2,1-6H3;2*1H/q+2;;/p-2/b24-22-,25-23-;;